N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide

C11H15BrN2OS — CID 6167295

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-2-3-4-5-11(15)14-13-8-9-6-7-10(12)16-9/h6-8H,2-5H2,1H3,(H,14,15)/b13-8-
InChIKeyNINNBKMDRIZCGN-JYRVWZFOSA-N
MW303.22 g/mol
LogP3.54
Rot. Bonds6

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide (PubChem CID 6167295) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
PubChem CID6167295
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-2-3-4-5-11(15)14-13-8-9-6-7-10(12)16-9/h6-8H,2-5H2,1H3,(H,14,15)/b13-8-
InChIKeyNINNBKMDRIZCGN-JYRVWZFOSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
N-[(5-bromothiophen-2-yl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 3948561
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
CID 6299261
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6163037
N-[(2-bromo-1-benzothiophen-3-yl)methylideneamino]octanamide
CID 617059

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide (CID 6167295) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide is CCCCCC(=O)N/N=C\c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide?
The InChIKey is NINNBKMDRIZCGN-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-2-3-4-5-11(15)14-13-8-9-6-7-10(12)16-9/h6-8H,2-5H2,1H3,(H,14,15)/b13-8-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide has a molecular weight of 303.22 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide is sourced from PubChem (CID 6167295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).